CL(i-12:0/i-19:0/i-13:0/i-18:0)

Properties Image MNX_ID MNXM1110536 reference hmdb:HMDB0081057 formula C71H138O17P2 global charge 0 mol weight 1325.816 InChIKey VQGDGAKWCOLDIU-WWKUUFCESA-N InChI InChI=1S/C71H138O17P2/c1-61(2)47-39-31-23-18-14-10-9-11-16-20-26-37-45-53-71(76)88-67(58-82-69(74)52-44-36-30-29-34-42-50-64(7)8)60-86-90(79,80)84-56-65(72)55-83-89(77,78)85-59-66(57-81-68(73)51-43-35-28-22-25-33-41-49-63(5)6)87-70(75)54-46-38-27-21-17-13-12-15-19-24-32-40-48-62(3)4/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t65-,66-,67-/m1/s1 SMILES CC(C)CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C71H138O17P2/c1-61(2)47-39-31-23-18-14-10-9-11-16-20-26-37-45-53-71(76)88-67(58-82-69(74)52-44-36-30-29-34-42-50-64(7)8)60-86-90(79,80)84-56-65(72)55-83-89(77,78)85-59-66(57-81-68(73)51-43-35-28-22-25-33-41-49-63(5)6)87-70(75)54-46-38-27-21-17-13-12-15-19-24-32-40-48-62(3)4/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t65-,66-,67-/m1/s1 SMILES (mnx) [CH3:1][CH:61]([CH3:2])[CH2:47][CH2:39][CH2:31][CH2:23][CH2:18][CH2:14][CH2:10][CH2:9][CH2:11][CH2:16][CH2:20][CH2:26][CH2:37][CH2:45][CH2:53][C:71](=[O:76])[O:88][C@H:67]([CH2:58][O:82][C:69]([CH2:52][CH2:44][CH2:36][CH2:30][CH2:29][CH2:34][CH2:42][CH2:50][CH:64]([CH3:7])[CH3:8])=[O:74])[CH2:60][O:86][P:90]([OH:79])(=[O:80])[O:84][CH2:56][C@@H:65]([CH2:55][O:83][P:89]([OH:77])(=[O:78])[O:85][CH2:59][C@@H:66]([CH2:57][O:81][C:68]([CH2:51][CH2:43][CH2:35][CH2:28][CH2:22][CH2:25][CH2:33][CH2:41][CH2:49][CH:63]([CH3:5])[CH3:6])=[O:73])[O:87][C:70]([CH2:54][CH2:46][CH2:38][CH2:27][CH2:21][CH2:17][CH2:13][CH2:12][CH2:15][CH2:19][CH2:24][CH2:32][CH2:40][CH2:48][CH:62]([CH3:3])[CH3:4])=[O:75])[OH:72]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0